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After computing the surface for a molecule, I choose to display a LUMO Molecular Orbital, however the HOMO orbital is actually displayed.

Rich Talbot
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Product: Chem3D

Problem:

After computing the surface for a molecule, I choose to display a LUMO Molecular Orbital, however the HOMO orbital is actually displayed.


Solution:

Trying running an MM2 minimization on the molecule first, then compute the surface again, and then choose to display the MO.

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